Materials Library Visualization

"CrystalSystem" "SpaceGroup" "E<sub>g</sub>" "IsCalculated" "ReferenceId" "Comment" "Monoclinic" "P2<sub>1</sub>/c" "0.71" "1" "1823" "Direct. Calculation. VASP. LDA" "Monoclinic" "P2<sub>1</sub>/c" "0.75" "1" "1823" "Direct. Calculation. VASP. GGA" "Monoclinic" "P2<sub>1</sub>/c" "1.85" "1" "1823" "Direct. Calculation. VASP. SCAN" "Monoclinic" "P2<sub>1</sub>/c" "2.6" "0" "1823" "Direct. UV-vis-NIR diffuse reflectance spectroscopy"

Chart

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CSV Viewer: Cs2FeP2S6

CrystalSystem SpaceGroup Eg IsCalculated ReferenceId Comment
Monoclinic P21/c 0.71 1 1823 Direct. Calculation. VASP. LDA
Monoclinic P21/c 0.75 1 1823 Direct. Calculation. VASP. GGA
Monoclinic P21/c 1.85 1 1823 Direct. Calculation. VASP. SCAN
Monoclinic P21/c 2.6 0 1823 Direct. UV-vis-NIR diffuse reflectance spectroscopy